Compound Detail

CHEMBL1795908

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Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)cc1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1795908
Phase	Preclinical
Structure Type	MOL
InChI Key	MKZFUCULUUTWOC-MSOLQXFVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

434.4

MW (Da)

3.58

ALogP

HBA

HBD

54.3

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.7

Ki 1 meas. best 4.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Renin CHEMBL286	IC50	7.7	7.54	20.0	2
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	Ki	4.89	4.89	13000.0	1

Parameter	Value	Units	Species
F	23.0	%	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Renin	IC50	=	20.0	nM	7.7	Inhibition of human recombinant renin using Q-FRET substrate after 3 hrs by fluo...	21621998
Renin	IC50	=	42.0	nM	7.38	Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 min...	21621998
Voltage-gated inwardly rectifying potassium channel KCNH2	Ki	=	13000.0	nM	4.89	Inhibition of human ERG	21621998

PubMed	DOI	Target Context	# Activities
21621998	10.1016/j.bmcl.2011.05.013	Renin	2
21621998	10.1016/j.bmcl.2011.05.013	Cytochrome P450 3A4	2
21621998	10.1016/j.bmcl.2011.05.013	Voltage-gated inwardly rectifying potassium channel KCNH2	1
21621998	10.1016/j.bmcl.2011.05.013	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine